(Q105273933)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(23Z)-3beta,25-Dihydroxytirucalla-7,23-diene

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O₂

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canonical SMILES

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

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isomeric SMILES

C[C@@H](C/C=C\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

Dysoxylum mollissimum

1 reference

stated in

Tirucallane triterpenoids from Dysoxylum hainanense

Identifiers

InChI

InChI=1S/C30H50O2/c1-20(10-9-16-26(2,3)32)21-13-18-30(8)23-11-12-24-27(4,5)25(31)15-17-28(24,6)22(23)14-19-29(21,30)7/h9,11,16,20-22,24-25,31-32H,10,12-15,17-19H2,1-8H3/b16-9-/t20-,21-,22+,24-,25-,28+,29-,30+/m0/s1

0 references

InChIKey

UJGVEQGNNKXYLU-PKVQBQMFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UJGVEQGNNKXYLU-PKVQBQMFSA-N

(Q105273933)

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

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