(Q105375807)

English

(4R,4aS,6aS,6aR,6bR,8aS,12aR,14aS,14bS)-6a-(hydroxymethyl)-4,4a,6b,8a,11,11,14a-heptamethyl-1,2,4,5,6,6a,7,8,9,12,12a,13,14,14b-tetradecahydropicene-3,10-dione

chemical compound

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instance of

type of chemical entity

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1 reference

6a-(Hydroxymethyl)-4,4a,6b,8a,11,11,14a-heptamethyl-1,2,4,5,6,6a,7,8,9,12,12a,13,14,14b-tetradecahydropicene-3,10-dione

1 reference

based on heuristic

inferred from SMILES

mass

456.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₃

0 references

canonical SMILES

O=C1CCC2C(C)(CCC3C2(C)CCC4(CO)C5CC(C(=O)CC5(C)CCC34C)(C)C)C1C

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isomeric SMILES

C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(CO)[C@@H]5CC(C)(C)C(=O)C[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C

0 references

found in taxon

Kokoona zeylanica

2 references

stated in

Studies on terpenoids and steroids. Part 1. Structures of six novel 27-hydroxy and 6β-hydroxy di- and tri-oxygenatedD:A-friedo-oleanane triterpenes from Kokoona zeylanica

stated in

Friedelin, D:A-friedo-olean-3,21-dione and 21α-hydroxy-D:A-friedo-olean-3-one from Kokoona zeylanica

Identifiers

InChI

InChI=1S/C30H48O3/c1-19-20(32)8-9-21-27(19,5)11-10-22-28(21,6)13-15-30(18-31)23-16-25(2,3)24(33)17-26(23,4)12-14-29(22,30)7/h19,21-23,31H,8-18H2,1-7H3/t19-,21+,22-,23+,26-,27+,28-,29+,30+/m0/s1

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InChIKey

ZHJWYVRDMOUNPD-GNYNGVDFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZHJWYVRDMOUNPD-GNYNGVDFSA-N

1 reference

(Q105375807)

(4R,4aS,6aS,6aR,6bR,8aS,12aR,14aS,14bS)-6a-(hydroxymethyl)-4,4a,6b,8a,11,11,14a-heptamethyl-1,2,4,5,6,6a,7,8,9,12,12a,13,14,14b-tetradecahydropicene-3,10-dione

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