(Q105151697)

English

(6R)-6-[(3R,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3,4,5-tetrol

group of stereoisomers with the chemical formula C₃₀H₅₂O₅

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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

492.381474764 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₂O₅

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canonical SMILES

OC1CCC2(C)C3C(=CCC2C1(C)C)C4(C)CCC(C(C)C(O)C(O)C(O)C(O)(C)C)C4(C)CC3

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isomeric SMILES

C[C@@H](C(O)C(O)C(O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C

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found in taxon

Cedrela fissilis

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stated in

Trypanocidal activity of limonoids and triterpenes from Cedrela fissilis.

Identifiers

InChI

InChI=1S/C30H52O5/c1-17(23(32)24(33)25(34)27(4,5)35)18-11-15-30(8)20-9-10-21-26(2,3)22(31)13-14-28(21,6)19(20)12-16-29(18,30)7/h9,17-19,21-25,31-35H,10-16H2,1-8H3/t17-,18+,19+,21+,22-,23?,24?,25?,28-,29+,30-/m1/s1

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InChIKey

LHDJQZOTZGFAIP-SRPYFFJNSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105151697)

(6R)-6-[(3R,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3,4,5-tetrol

Statements

Identifiers

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