(Q105287721)

English

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

chemical compound

In more languages

Statements

type of chemical entity

0 references

6b-(Hydroxymethyl)-4,4,6a,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol

1 reference

based on heuristic

inferred from SMILES

442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O₂

0 references

canonical SMILES

OCC12C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC31C)C5CC(C)(C)CCC5(C)CC2

0 references

isomeric SMILES

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

0 references

Plumeria obtusa

1 reference

Chemical constituents of leaves and stem bark of Plumeria obtusa.

Identifiers

InChI=1S/C30H50O2/c1-25(2)14-15-27(5)16-17-30(19-31)20(21(27)18-25)8-9-23-28(6)12-11-24(32)26(3,4)22(28)10-13-29(23,30)7/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22-,23+,24-,27+,28-,29+,30-/m0/s1

0 references

VKFYBVXBUHHZMW-ITJTUXTASA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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