(Q105224027)

English

(3S,4aR,6aR,6aR,6bS,8aS,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-3-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4,4,6a,6b,8a,11,12,14b-octamethyl-hexadecahydro-1H-picen-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

428.401816284 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,4aR,6aR,6aR,6bR,8aR,11S,12R,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-3-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₂O

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canonical SMILES

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

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isomeric SMILES

C[C@H]1[C@H](C)CC[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]12

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found in taxon

Eupatorium perfoliatum

1 reference

stated in

Sterols and triterpenes from Eupatorium perfoliatum

Identifiers

InChI

InChI=1S/C30H52O/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/h19-25,31H,9-18H2,1-8H3/t19-,20+,21-,22+,23-,24+,25-,27+,28+,29+,30-/m1/s1

0 references

InChIKey

QMKPCZNFLUQTJZ-OHNIZJCCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QMKPCZNFLUQTJZ-OHNIZJCCSA-N

(Q105224027)

(3S,4aR,6aR,6aR,6bS,8aS,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-3-ol

Statements

Identifiers

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