(2R,3R,4S,5S,6R)-2-[[(1R,2S,2'S,4S,6S,7S,8R,9S,10S,12S,13R,16S)-10,16-dihydroxy-2',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-2'-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C33H52O10 — CID 132918276

About (2R,3R,4S,5S,6R)-2-[[(1R,2S,2'S,4S,6S,7S,8R,9S,10S,12S,13R,16S)-10,16-dihydroxy-2',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-2'-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[[(1R,2S,2'S,4S,6S,7S,8R,9S,10S,12S,13R,16S)-10,16-dihydroxy-2',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-2'-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 132918276) has the molecular formula C33H52O10 and a molecular weight of 608.77 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[[(1R,2S,2'S,4S,6S,7S,8R,9S,10S,12S,13R,16S)-10,16-dihydroxy-2',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-2'-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3R,4S,5S,6R)-2-[[(1R,2S,2'S,4S,6S,7S,8R,9S,10S,12S,13R,16S)-10,16-dihydroxy-2',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-2'-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 132918276
• Molecular Formula: C33H52O10
• Molecular Weight: 608.77 g/mol
• Exact Mass: 608.36
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(1R,2S,2'S,4S,6S,7S,8R,9S,10S,12S,13R,16S)-10,16-dihydroxy-2',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-2'-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)O[C@]12CC[C@@](C)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O2
• InChI: InChI=1S/C33H52O10/c1-16-25-22(12-21-19-6-5-17-11-18(35)7-8-31(17,3)20(19)13-24(36)32(21,25)4)42-33(16)10-9-30(2,43-33)15-40-29-28(39)27(38)26(37)23(14-34)41-29/h5,16,18-29,34-39H,6-15H2,1-4H3/t16-,18-,19+,20-,21-,22-,23+,24-,25-,26+,27-,28+,29+,30-,31-,32+,33-/m0/s1
• InChIKey: WIFSVZFBOSKZFC-BEAHVEOASA-N
• XLogP: 1.62
• TPSA: 158.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.77
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[[(1R,2S,2'S,4S,6S,7S,8R,9S,10S,12S,13R,16S)-10,16-dihydroxy-2',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-2'-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of (2R,3R,4S,5S,6R)-2-[[(1R,2S,2'S,4S,6S,7S,8R,9S,10S,12S,13R,16S)-10,16-dihydroxy-2',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-2'-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 132918276) is (2R,3R,4S,5S,6R)-2-[[(1R,2S,2'S,4S,6S,7S,8R,9S,10S,12S,13R,16S)-10,16-dihydroxy-2',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-2'-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[[(1R,2S,2'S,4S,6S,7S,8R,9S,10S,12S,13R,16S)-10,16-dihydroxy-2',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-2'-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (2R,3R,4S,5S,6R)-2-[[(1R,2S,2'S,4S,6S,7S,8R,9S,10S,12S,13R,16S)-10,16-dihydroxy-2',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-2'-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)O[C@]12CC[C@@](C)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O2.

What is the InChIKey of (2R,3R,4S,5S,6R)-2-[[(1R,2S,2'S,4S,6S,7S,8R,9S,10S,12S,13R,16S)-10,16-dihydroxy-2',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-2'-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is WIFSVZFBOSKZFC-BEAHVEOASA-N. The full InChI is InChI=1S/C33H52O10/c1-16-25-22(12-21-19-6-5-17-11-18(35)7-8-31(17,3)20(19)13-24(36)32(21,25)4)42-33(16)10-9-30(2,43-33)15-40-29-28(39)27(38)26(37)23(14-34)41-29/h5,16,18-29,34-39H,6-15H2,1-4H3/t16-,18-,19+,20-,21-,22-,23+,24-,25-,26+,27-,28+,29+,30-,31-,32+,33-/m0/s1.

What are the key properties of (2R,3R,4S,5S,6R)-2-[[(1R,2S,2'S,4S,6S,7S,8R,9S,10S,12S,13R,16S)-10,16-dihydroxy-2',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-2'-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

(2R,3R,4S,5S,6R)-2-[[(1R,2S,2'S,4S,6S,7S,8R,9S,10S,12S,13R,16S)-10,16-dihydroxy-2',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-2'-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 608.77 g/mol, XLogP of 1.62, 4 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5S,6R)-2-[[(1R,2S,2'S,4S,6S,7S,8R,9S,10S,12S,13R,16S)-10,16-dihydroxy-2',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-2'-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 132918276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).