(Q105188452)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

440.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₂

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canonical SMILES

O=CC(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C12

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isomeric SMILES

C[C@H](C=O)[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

Senegalia mellifera

1 reference

stated in

Lupane triterpenoids from Acacia mellifera with cytotoxic activity

Identifiers

InChI

InChI=1S/C30H48O2/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/h18-23,25H,8-17H2,1-7H3/t19-,20+,21-,22+,23-,25-,27-,28+,29-,30-/m1/s1

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InChIKey

NZUNSIQTLLZQIV-RASYHJNMSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

NZUNSIQTLLZQIV-RASYHJNMSA-N

1 reference

(Q105188452)

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

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