(Q105343551)

English

(3S,4aS,6aS,6aS,6bS,8aS,12S,12aR,14aS,14bS)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol

chemical compound

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instance of

type of chemical entity

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subclass of

(3S,6aR,6aR,6bR,8aR,12aS,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol

1 reference

based on heuristic

inferred from SMILES

(6aR,6bR,8aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol

1 reference

1 reference

426.38616622 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,4aR,6aR,6aR,6bR,8aR,12R,12aS,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,4aR,6aR,6aR,6bR,8aR,12R,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol

1 reference

1 reference

(3S,4aS,6aS,6aR,6bR,8aR,12S,12aS,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol

1 reference

based on heuristic

inferred from InChI

(3S,4aS,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O

0 references

canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)CCC5(C)CCC43C)C)C1(C)C

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isomeric SMILES

C=C1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]2[C@@H]1C

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found in taxon

Euphorbia watanabei

1 reference

stated in

[Constituents of Euphorbia watanabei. 1]

Crepidiastrum denticulatum

1 reference

stated in

Constituents of Youngia denticulata. I

Youngia denticulata

1 reference

stated in

Constituents of Youngia denticulata. I

Identifiers

InChI

InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24+,25-,27+,28-,29+,30+/m1/s1

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InChIKey

XWMMEBCFHUKHEX-CDYMMRNCSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105343551)

(3S,4aS,6aS,6aS,6bS,8aS,12S,12aR,14aS,14bS)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol

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