(Q105152196)

English

(4aR,6aR,6bS,8aS,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4,4,6a,6b,8a,11,11,14b-Octamethyl-1,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-octadecahydro-2H-picen-3-one

1 reference

1 reference

424.370516156 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(4aS,6aR,6bS,8aR,12aR,14aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one

1 reference

based on heuristic

inferred from InChI

(4aS,6aR,6bR,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one

1 reference

based on heuristic

inferred from InChI

(18alpha)-Olean-12-en-3-one

1 reference

based on heuristic

inferred from InChI

(4aS,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O

0 references

canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2CC=C4C5CC(C)(C)CCC5(C)CCC43C)C1(C)C

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isomeric SMILES

CC1(C)CC[C@@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1

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found in taxon

Pterocarpus santalinus

1 reference

stated in

A new triterpene from Pterocarpus santalinus bark

Identifiers

InChI

InChI=1S/C30H48O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-23H,10-19H2,1-8H3/t21-,22-,23+,27-,28-,29+,30+/m0/s1

0 references

InChIKey

LIIFBMGUDSHTOU-IGEZCCIJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LIIFBMGUDSHTOU-IGEZCCIJSA-N

(Q105152196)

(4aR,6aR,6bS,8aS,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one

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