(Q115969296)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

440.329045268 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₄O₃

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canonical SMILES

O=C(C=1C(=O)CC2(C1C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC2)C)C

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isomeric SMILES

CC(=O)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1=O

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found in taxon

Euonymus carnosus

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stated in

Lupane triterpenoids from the stems of Euonymus carnosus

Identifiers

InChI

InChI=1S/C29H44O3/c1-17(30)23-19(31)16-26(4)14-15-28(6)18(24(23)26)8-9-21-27(5)12-11-22(32)25(2,3)20(27)10-13-29(21,28)7/h18,20-22,32H,8-16H2,1-7H3/t18-,20+,21-,22-,26+,27+,28-,29-/m1/s1

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InChIKey

HFYWMHYYAAQGEB-HRJDOSHVSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

HFYWMHYYAAQGEB-HRJDOSHVSA-N

1 reference

(Q115969296)

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

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Identifiers

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