(Q105168029)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4,4a,6a,6b,8a,11,11,14a-Octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicene-3,9-diol

1 reference

based on heuristic

inferred from SMILES

mass

444.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₂O₂

0 references

canonical SMILES

OC1CCC2C(C)(CCC3C2(C)CCC4(C)C5CC(C)(C)CC(O)C5(C)CCC34C)C1C

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isomeric SMILES

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

0 references

found in taxon

Pachysandra terminalis

1 reference

stated in

Structures of pachysandiol-B and pachysonol, new triterpenes from pachysandra terminalis sieb. et zucc. (I)

Identifiers

InChI

InChI=1S/C30H52O2/c1-19-20(31)9-10-21-26(19,4)12-11-22-27(21,5)13-15-30(8)23-17-25(2,3)18-24(32)28(23,6)14-16-29(22,30)7/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21+,22-,23+,24+,26+,27-,28+,29+,30-/m0/s1

0 references

InChIKey

MMRORNBBMJZPIV-ZOCMAZJCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MMRORNBBMJZPIV-ZOCMAZJCSA-N

(Q105168029)

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

Statements

Identifiers

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