(Q105213496)

English

(1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-[(2R)-1-hydroxypropan-2-yl]-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one

chemical compound

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type of chemical entity

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subclass of

1-(1-hydroxypropan-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one

1 reference

based on heuristic

inferred from SMILES

mass

442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-1-[(2S)-1-hydroxypropan-2-yl]-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one

1 reference

based on heuristic

inferred from InChI

(1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-[(2S)-1-hydroxypropan-2-yl]-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one

1 reference

based on heuristic

inferred from InChI

(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-1-[(2R)-1-hydroxypropan-2-yl]-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O₂

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canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2CCC4C5C(CCC5(C)CCC43C)C(C)CO)C1(C)C

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isomeric SMILES

C[C@@H](CO)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

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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

Identifiers

InChI

InChI=1S/C30H50O2/c1-19(18-31)20-10-13-27(4)16-17-29(6)21(25(20)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h19-23,25,31H,8-18H2,1-7H3/t19-,20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1

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InChIKey

PQVVXMPNABAITP-WRGWHWBHSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

PQVVXMPNABAITP-WRGWHWBHSA-N

1 reference

(Q105213496)

(1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-[(2R)-1-hydroxypropan-2-yl]-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one

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