(Q105385464)

English

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

group of stereoisomers with the chemical formula C₃₀H₄₈O₄

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Statements

instance of

group of stereoisomers

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subclass of

friedelane triterpenoid

1 reference

inferred from

friedelane triterpenoid

mass

472.355260016 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₄

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canonical SMILES

O=C(O)C1(C)CCC2(C)CCC3(C)C4CCC56COC(O)(CCC5C4(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[C@]1(O)OC3

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Identifiers

InChI

InChI=1S/C30H48O4/c1-19-29-9-7-20-26(4,21(29)8-10-30(19,33)34-18-29)14-16-28(6)22-17-25(3,23(31)32)12-11-24(22,2)13-15-27(20,28)5/h19-22,33H,7-18H2,1-6H3,(H,31,32)/t19-,20+,21+,22-,24+,25-,26-,27-,28+,29?,30+/m1/s1

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InChIKey

ZXENWDWQTWYUGY-LBTPFVDNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZXENWDWQTWYUGY-LBTPFVDNSA-N

(Q105385464)

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

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Identifiers

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