(Q105372479)

English

(5R,9R,10R,13R,14R,17S)-17-[(2S,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

chemical compound

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instance of

type of chemical entity

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subclass of

17-(5,6-Dihydroxy-6-methylheptan-2-yl)-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from SMILES

mass

458.37599546 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(9beta,24S)-24,25-Dihydroxylanosta-7-ene-3-one

2 references

based on heuristic

inferred from InChIKey

1 reference

(5S,9R,10R,13S,14S,17R)-17-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O₃

0 references

canonical SMILES

O=C1CCC2(C)C3C(=CCC2C1(C)C)C4(C)CCC(C(C)CCC(O)C(O)(C)C)C4(C)CC3

0 references

isomeric SMILES

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

0 references

found in taxon

Tripterygium doianum

1 reference

stated in

Terpenoids from Tripterygium doianum (Celastraceae)

Identifiers

InChI

InChI=1S/C30H50O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h10,19-21,23,25,32-33H,9,11-18H2,1-8H3/t19-,20-,21-,23-,25-,28+,29+,30-/m0/s1

0 references

InChIKey

ZDOLIOLHSICTGE-NBGZLQLJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZDOLIOLHSICTGE-NBGZLQLJSA-N

(Q105372479)

(5R,9R,10R,13R,14R,17S)-17-[(2S,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

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