(Q105030987)

English

11-Hydroxy-4,4,8,10,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one

group of stereoisomers with the chemical formula C₃₀H₅₀O₅

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instance of

group of stereoisomers

0 references

subclass of

protostane/dammarane triterpenoid

1 reference

inferred from

protostane/dammarane triterpenoid

mass

490.3658247 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₅

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canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2C(O)CC4=C(CCC43C)C(C)CC(O)C(O)C(O)(C)C)C1(C)C

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found in taxon

Alisma plantago-aquatica

1 reference

stated in

Biological-Active Triterpenes of Alismatis Rhizoma. II. The Structures of Alisol A and Alisol A Monoacetate

Identifiers

InChI

InChI=1S/C30H50O5/c1-17(15-21(32)25(34)27(4,5)35)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32,34-35H,9-16H2,1-8H3

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InChIKey

HNOSJVWYGXOFRP-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HNOSJVWYGXOFRP-UHFFFAOYSA-N

1 reference

Human Metabolome Database ID

HMDB0248140

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HNOSJVWYGXOFRP-UHFFFAOYSA-N

(Q105030987)

11-Hydroxy-4,4,8,10,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one

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