(Q105112413)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

10-hydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,7,8,8a,10,11,12,12b,13,14,14b-tetradecahydropicene-4a-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

440.365430776 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₂

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canonical SMILES

O=CC12CC=C3C4(C)CCC5C(C)(C)C(O)CCC5(C)C4CCC3(C)C2CC(C)(C)CC1

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isomeric SMILES

CC1(C)CC[C@@]2(C=O)CC=C3[C@@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2C1

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found in taxon

Morella rubra

1 reference

stated in

Constituents of Myrica rubra. III. Structures of two glycosides of myricanol.

Myrica rubra

1 reference

stated in

Constituents of Myrica rubra. III. Structures of two glycosides of myricanol.

Identifiers

InChI

InChI=1S/C30H48O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h10,19-21,23-24,32H,8-9,11-18H2,1-7H3/t20-,21-,23-,24-,27+,28-,29+,30+/m0/s1

0 references

InChIKey

IFVLEXPVJXHCAY-UPDALXBZSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105112413)

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

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