(Q105346893)

English

(4aS,6aS,6aS,6bR,8aS,10R,12aS,14aR,14bS)-10-hydroxy-4a,6a,6b,8a,11,11,14a-heptamethyl-4-methylidene-1,2,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

10-Hydroxy-4a,6a,6b,8a,11,11,14a-heptamethyl-4-methylidene-1,2,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-one

1 reference

based on heuristic

inferred from SMILES

mass

440.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₂

0 references

canonical SMILES

O=C1C(=C)C2(C)CCC3C(C)(CCC4(C)C5CC(C)(C)C(O)CC5(C)CCC34C)C2CC1

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isomeric SMILES

C=C1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)[C@H](O)C[C@]3(C)CC[C@]12C

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found in taxon

Phyllanthus reticulatus

1 reference

stated in

A new compound, 21α-hydroxyfriedel-4(23)-en-3-one and other triterpenoids from Phyllanthus reticulatus☆

Identifiers

InChI

InChI=1S/C30H48O2/c1-19-20(31)9-10-21-27(19,5)12-11-22-28(21,6)14-16-30(8)23-17-25(2,3)24(32)18-26(23,4)13-15-29(22,30)7/h21-24,32H,1,9-18H2,2-8H3/t21-,22+,23+,24-,26+,27-,28+,29-,30+/m1/s1

0 references

InChIKey

YDQHZYOGXPYNKG-JYBFEMDZSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105346893)

(4aS,6aS,6aS,6bR,8aS,10R,12aS,14aR,14bS)-10-hydroxy-4a,6a,6b,8a,11,11,14a-heptamethyl-4-methylidene-1,2,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-one

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Identifiers

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