(Q105008817)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

458.412380968 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₁H₅₄O₂

0 references

canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CCC4C(CCC43C)C(O)(C)CCC(=C)C(C)C)C1(C)C

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isomeric SMILES

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

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found in taxon

Salacia chinensis

1 reference

stated in

New triterpene constituents, foliasalacins A(1)-A(4), B(1)-B(3), and C, from the leaves of Salacia chinensis

Baccharis genistelloides

1 reference

stated in

New constituents of Baccharis genistelloides (Lam.) Pers.

Baccharis sagittalis

1 reference

stated in

New constituents of Baccharis genistelloides (Lam.) Pers.

Baccharis venosa

1 reference

stated in

New constituents of Baccharis genistelloides (Lam.) Pers.

Identifiers

InChI

InChI=1S/C31H54O2/c1-20(2)21(3)12-19-31(9,33)23-13-17-29(7)22(23)10-11-25-28(6)16-15-26(32)27(4,5)24(28)14-18-30(25,29)8/h20,22-26,32-33H,3,10-19H2,1-2,4-9H3/t22-,23+,24+,25-,26+,28+,29-,30-,31+/m1/s1

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InChIKey

GHYYPJMOIDQJRP-CFMDIQLFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GHYYPJMOIDQJRP-CFMDIQLFSA-N

1 reference

(Q105008817)

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

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