(Q105344564)

English

(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-[(2S)-2-methyloxiran-2-yl]-1,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-2,9-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3a,5a,5b,8,8,11a-Hexamethyl-1-(2-methyloxiran-2-yl)-1,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-2,9-dione

1 reference

based on heuristic

inferred from SMILES

mass

454.344695332 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₆O₃

0 references

canonical SMILES

O=C1CC2(C)CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1C6(OC6)C

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isomeric SMILES

CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]([C@@]4(C)CO4)C(=O)C[C@]3(C)CC[C@]21C

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found in taxon

Salacia beddomei

1 reference

stated in

20,29-Epoxysalacianone and 6β-hydroxysalacianone, two lupane triterepenes from Salacia beddomei

Identifiers

InChI

InChI=1S/C30H46O3/c1-25(2)20-10-13-29(6)21(27(20,4)12-11-22(25)32)9-8-18-23-24(30(7)17-33-30)19(31)16-26(23,3)14-15-28(18,29)5/h18,20-21,23-24H,8-17H2,1-7H3/t18-,20+,21-,23+,24-,26+,27+,28-,29-,30-/m1/s1

0 references

InChIKey

XYMTUOZCBZSMBK-QULPPGEOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XYMTUOZCBZSMBK-QULPPGEOSA-N

(Q105344564)

(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-[(2S)-2-methyloxiran-2-yl]-1,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-2,9-dione

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