(Q105328112)

English

(5R,8R,9S,10S,11R,13S,14R,17S)-17-[(2S,5R)-2,5-dimethyl-5-propan-2-yloxolan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

10-hydroxy-1-(5-isopropyl-2,5-dimethyloxolan-2-yl)-3a,3b,6,6,9a-pentamethyl-dodecahydrocyclopenta[a]phenanthren-7-one

1 reference

based on heuristic

inferred from SMILES

mass

472.391645524 dalton

1 reference

1 reference

inferred from InChIKey

(5R,8S,9R,10S,11R,13S,14R,17R)-17-[(2S,5R)-2,5-dimethyl-5-propan-2-yloxolan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₅₂O₃

0 references

canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2C(O)CC4C(CCC43C)C5(OC(C)(CC5)C(C)C)C)C1(C)C

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isomeric SMILES

CC(C)[C@@]1(C)CC[C@@](C)([C@H]2CC[C@]3(C)[C@H]2C[C@@H](O)[C@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1

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found in taxon

Alnus serrulatoides

1 reference

stated in

Triterpenoids, diarylheptanoids and their glycosides in the flowers of Alnus species

Identifiers

InChI

InChI=1S/C31H52O3/c1-19(2)30(8)16-17-31(9,34-30)20-10-14-28(6)21(20)18-22(32)25-27(5)13-12-24(33)26(3,4)23(27)11-15-29(25,28)7/h19-23,25,32H,10-18H2,1-9H3/t20-,21-,22+,23-,25-,27-,28+,29+,30+,31-/m0/s1

0 references

InChIKey

XHIAVPAVQWVMAW-BSUNGIPBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XHIAVPAVQWVMAW-BSUNGIPBSA-N

(Q105328112)

(5R,8R,9S,10S,11R,13S,14R,17S)-17-[(2S,5R)-2,5-dimethyl-5-propan-2-yloxolan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

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Identifiers

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