(Q105221497)

English

methyl (2S,6R)-6-[(3S,5S,8S,10S,13S,14S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

methyl 6-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoate

1 reference

based on heuristic

inferred from SMILES

mass

484.355260016 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (2R,6R)-6-[(3R,5S,8S,10S,13S,14S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (2S,6R)-6-[(3S,5R,8S,10S,13S,14S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate

1 reference

based on heuristic

inferred from InChI

(25R)-3beta-Hydroxy-23-oxolanosta-9(11),16-diene-26-oic acid methyl ester

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₈O₄

0 references

canonical SMILES

O=C(OC)C(C)CC(=O)CC(C1=CCC2(C)C3C(=CCC12C)C4(C)CCC(O)C(C)(C)C4CC3)C

0 references

isomeric SMILES

COC(=O)[C@@H](C)CC(=O)C[C@@H](C)C1=CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C

0 references

found in taxon

Garcinia speciosa

1 reference

stated in

Lanostanes and friedolanostanes from the bark of Garcinia speciosa

Garcinia celebica

1 reference

stated in

Lanostanes and friedolanostanes from the bark of Garcinia speciosa

Identifiers

InChI

InChI=1S/C31H48O4/c1-19(17-21(32)18-20(2)27(34)35-8)22-11-15-31(7)24-9-10-25-28(3,4)26(33)13-14-29(25,5)23(24)12-16-30(22,31)6/h11-12,19-20,24-26,33H,9-10,13-18H2,1-8H3/t19-,20+,24-,25-,26+,29-,30-,31+/m1/s1

0 references

InChIKey

QIMIUNGNQNMMLJ-FCYLYFGMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QIMIUNGNQNMMLJ-FCYLYFGMSA-N

(Q105221497)

methyl (2S,6R)-6-[(3S,5S,8S,10S,13S,14S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate

Statements

Identifiers

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