(Q104912196)

English

(5S)-5-[(3S,5R,8R,9R,10R,13S,14R,17R)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-methyloxolan-2-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

5-(3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-5-methyloxolan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

416.329045268 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(5S)-5-[(1S,3aR,3bR,5aR,7S,9aR,9bR,11aR)-7-hydroxy-3a,3b,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl]-5-methyloxolan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

cabraleahydroxylactone

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(5S)-5-[(3R,5R,8R,9R,10R,13S,14R,17R)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-methyloxolan-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₄O₃

0 references

canonical SMILES

O=C1OC(C)(CC1)C2CCC3(C)C2CCC4C5(C)CCC(O)C(C)(C)C5CCC43C

0 references

isomeric SMILES

CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@H]([C@]3(C)CCC(=O)O3)CC[C@]21C

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found in taxon

Aglaia crassinervia

1 reference

stated in

Activity-guided isolation of cytotoxic constituents from the bark of Aglaia crassinervia collected in Indonesia

Identifiers

InChI

InChI=1S/C27H44O3/c1-23(2)19-10-15-26(5)20(24(19,3)13-11-21(23)28)8-7-17-18(9-14-25(17,26)4)27(6)16-12-22(29)30-27/h17-21,28H,7-16H2,1-6H3/t17-,18+,19-,20+,21-,24-,25+,26+,27-/m0/s1

0 references

InChIKey

AHDUWGQSZYSNEY-YBLAWNRESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AHDUWGQSZYSNEY-YBLAWNRESA-N

(Q104912196)

(5S)-5-[(3S,5R,8R,9R,10R,13S,14R,17R)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-methyloxolan-2-one

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