(Q105025384)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

9-hydroxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-2,3,4,5,7,7a,9,10,11,12,13,13b-dodecahydro-1H-cyclopenta[a]chrysen-6-one

1 reference

based on heuristic

inferred from SMILES

mass

440.365430776 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₂

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canonical SMILES

O=C1C2=C(CCC3(C)C4CCC(C(C)C)C4(C)CCC23C)C5(C)CCC(O)C(C)(C)C5C1

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isomeric SMILES

CC(C)[C@H]1CC[C@H]2[C@]3(C)CCC4=C(C(=O)C[C@@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C

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found in taxon

Euphorbia maculata

1 reference

stated in

Fernane and multiflorane triterpene ketols from Euphorbia supina

Euphorbia supina

1 reference

stated in

Fernane and multiflorane triterpene ketols from Euphorbia supina

Identifiers

InChI

InChI=1S/C30H48O2/c1-18(2)19-9-10-22-28(19,6)15-16-30(8)25-20(11-14-29(22,30)7)27(5)13-12-24(32)26(3,4)23(27)17-21(25)31/h18-19,22-24,32H,9-17H2,1-8H3/t19-,22-,23-,24+,27-,28-,29+,30-/m1/s1

0 references

InChIKey

HBNLGTQOVULHNC-CZVBEYNOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HBNLGTQOVULHNC-CZVBEYNOSA-N

(Q105025384)

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

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