(Q104401364)

English

6-[(5R,10S,13R,14R,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

group of stereoisomers with the chemical formula C₃₀H₄₈O₃

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Statements

instance of

group of stereoisomers

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subclass of

lanostane triterpenoid

1 reference

inferred from

lanostane triterpenoid

mass

456.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₃

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canonical SMILES

O=C(O)C(=CCCC(C)C1CCC2(C3=C(CCC12C)C4(C)CCC(O)C(C)(C)C4CC3)C)C

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isomeric SMILES

CC(=CCCC(C)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(O)C(C)(C)[C@@H]1CC3)C(=O)O

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found in taxon

Kadsura angustifolia

1 reference

stated in

Lignans from Phillyrea angustifolia L

Identifiers

InChI

InChI=1S/C30H48O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24-25,31H,8-9,11-18H2,1-7H3,(H,32,33)/t19?,21-,24-,25?,28+,29+,30-/m0/s1

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InChIKey

KGELVXQPIUKGCO-WCSWRUHASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KGELVXQPIUKGCO-WCSWRUHASA-N

(Q104401364)

6-[(5R,10S,13R,14R,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

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Identifiers

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