(Q72506784)

(1R,4aS,4bS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid

inferred from InChI

1 reference

inferred from InChI

chemical formula

NA

0 references

canonical SMILES

CC(C)C1=CC2=CCC3C(C)(C(=O)O)CCCC3(C)C2CC1

1 reference

inferred from isomeric SMILES

isomeric SMILES

CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1

1 reference

InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1

inferred from InChI

Identifiers

InChI

0 references

1 reference

0 references

1 reference

ChEBI ID

28987

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1

SureChEMBL ID

SCHEMBL28888

2 references

inferred from InChIKey

NMRShiftDB structure ID

20191826

1 reference

0 references

0 references

1 reference

ECHA Substance Infocard database

EC number

232-475-7

1 reference

stated in

ECHA Substance Infocard ID

29 December 2019

Rosin (English)

CAS no.: 8050-09-7 (English)

ECHA Substance Infocard ID

100.029.518

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

29 December 2019

Rosin (English)

CAS no.: 8050-09-7 (English)

PesticideInfo chemical ID

PRI5575

0 references

AICS Chemical ID (BEING DELETED)

0 references

1 reference

6 July 2021

CAS no.: 8050-09-7 (English)

Rosin (English)

0 references

1 reference