(Q104909441)

English

(1R,3R,6S,8R,12R,15S,16R)-15-[(2S,5R)-2-hydroxy-5,6-dimethylheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-en-6-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

15-(2-hydroxy-5,6-dimethylheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadec-10-en-6-ol

1 reference

based on heuristic

inferred from SMILES

mass

456.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₂O₂

0 references

canonical SMILES

OC1CCC23CC43C(=CCC2C1(C)C)C5(C)CCC(C(O)(C)CCC(C)C(C)C)C5(C)CC4

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isomeric SMILES

CC(C)[C@H](C)CC[C@](C)(O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C

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found in taxon

Curculigo orchioides

1 reference

stated in

Curculigol, a cycloartane triterpene alcohol from Curculigo orchioides

Identifiers

InChI

InChI=1S/C31H52O2/c1-20(2)21(3)11-15-29(8,33)23-12-14-27(6)24-10-9-22-26(4,5)25(32)13-16-30(22)19-31(24,30)18-17-28(23,27)7/h10,20-23,25,32-33H,9,11-19H2,1-8H3/t21-,22+,23+,25+,27+,28-,29+,30-,31+/m1/s1

0 references

InChIKey

ADAXNLYFMSSRDG-SVUBGJBLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ADAXNLYFMSSRDG-SVUBGJBLSA-N

(Q104909441)

(1R,3R,6S,8R,12R,15S,16R)-15-[(2S,5R)-2-hydroxy-5,6-dimethylheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-en-6-ol

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Identifiers

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