(Q105111584)

English

(4S,5R,8S,11R,13R,14S,17R,18S,21R,24R)-21-hydroxy-5,8,11,14,17,24-hexamethyl-20-oxo-22-oxahexacyclo[19.2.1.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosane-11-carboxylic acid

group of stereoisomers with the chemical formula C₃₀H₄₆O₅

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instance of

group of stereoisomers

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subclass of

friedelane triterpenoid

1 reference

inferred from

friedelane triterpenoid

mass

486.3345245719999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₆O₅

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canonical SMILES

O=C(O)C1(C)CCC2(C)CCC3(C)C4CCC56COC(O)(C(=O)CC5C4(C)CCC3(C)C2C1)C6C

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isomeric SMILES

C[C@@H]1C23CC[C@H]4[C@@](C)(CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]45C)[C@@H]2CC(=O)[C@]1(O)OC3

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Identifiers

InChI

InChI=1S/C30H46O5/c1-18-29-8-7-19-26(4,20(29)15-22(31)30(18,34)35-17-29)12-14-28(6)21-16-25(3,23(32)33)10-9-24(21,2)11-13-27(19,28)5/h18-21,34H,7-17H2,1-6H3,(H,32,33)/t18-,19+,20+,21-,24-,25-,26-,27-,28+,29?,30-/m1/s1

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InChIKey

IDWSINSLFUFGJH-BWOPUXCNSA-N

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PubChem CID

163191054

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

IDWSINSLFUFGJH-BWOPUXCNSA-N

(Q105111584)

(4S,5R,8S,11R,13R,14S,17R,18S,21R,24R)-21-hydroxy-5,8,11,14,17,24-hexamethyl-20-oxo-22-oxahexacyclo[19.2.1.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosane-11-carboxylic acid

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